| DOI | Resolve DOI: https://doi.org/10.1016/S0039-6028(02)01574-1 |
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| Author | Search for: Tütüncü, H. M.1; Search for: Srivastava, G. P.; Search for: Tse, J. S.1 |
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| Affiliation | - National Research Council Canada. NRC Steacie Institute for Molecular Sciences
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| Format | Text, Article |
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| Subject | Ab initio quantum chemical methods and calculations; Arsenic; Density functional calculations; Indium phosphide; Phonons |
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| Abstract | A first-principles study, using a linear-response approach based on the pseudopotential method and the local density functional scheme, has been carried out for the structural and dynamical properties of As overlayers on InP(1-1-0). Computations have been performed for two structural models: epitaxially continued layer structure and an exchange-reacted structure. For both structural models, we find several characteristic phonon modes in the bulk acoustic-optical gap region. These results have allowed us to provide a critical assessment of the previously reported dynamical properties of this system obtained from the application of a bond charge model. |
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| Publication date | 2002-06-20 |
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| In | |
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| NPARC number | 12338921 |
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| Export citation | Export as RIS |
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| Report a correction | Report a correction (opens in a new tab) |
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| Record identifier | 460ef760-30ba-45e4-8e53-7b45cdb2ab3a |
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| Record created | 2009-09-11 |
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| Record modified | 2020-03-30 |
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